SCHEMBL19741191

SCHEMBL19741191

Cc1ncc(C#N)c(C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LRRK2 Q5S007 2/20 0.37
HPGD P15428 1/20 0.37
AR P10275 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
S1PR2 O95136 1/20 0.34
PIN1 Q13526 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3826388 0.83 CSNK1A1 (0.41) CSNK1A1CLK4KMT2ATSHRALDH1A1
SCHEMBL29741000 0.80 TSHR (0.39) CSNK1A1CLK4KMT2ATSHRALDH1A1
SCHEMBL19009020 0.80 TSHR (0.39) CSNK1A1CLK4KMT2ATSHRALDH1A1
SCHEMBL2981053 0.80 CSNK1A1 (0.39) CSNK1A1CLK4KMT2ATSHRHTT
SCHEMBL26194109 0.77 TSHR (0.37) CSNK1A1CLK4KMT2ATSHRHTT
SCHEMBL1145552 0.76 CSNK1A1 (0.39) CSNK1A1CLK4KMT2AALDH1A1NPSR1
SCHEMBL1145686 0.76 CSNK1A1 (0.39) CSNK1A1CLK4KMT2AALDH1A1NPSR1
SCHEMBL22890442 0.76 LRRK2 (0.36) CSNK1A1CLK4KMT2AALDH1A1NPSR1
SCHEMBL20302398 0.75 CSNK1A1 (0.41) CSNK1A1CLK4KMT2AALDH1A1NPSR1
SCHEMBL18299745 0.75 TSHR (0.35) CSNK1A1CLK4KMT2ATSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421456-A1 NEW ROUTE OF SYNTHESIS FOR OPICAPONE AZAD Pharmaceutical Ingredients AG (CH) 2019-01-02 EP claimed
US-20180370958-A1 Route Of Synthesis For Opicapone AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2018-12-27 US claimed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
EP-4186910-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-05-31 EP disclosed
CN-116178391-A Forward allosteric modulators of muscarinic acetylcholine receptor M4 范德比尔特大学 2023-05-30 CN disclosed
CN-109310668-B Positive allosteric modulators of muscarinic acetylcholine receptor M4 范德比尔特大学 2023-01-24 CN disclosed
US-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-01-19 US disclosed
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-10-12 US disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-05-30 US disclosed
EP-3474846-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2019-05-01 EP disclosed
US-10239887-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2019-03-26 US disclosed
EP-3421456-A1 NEW ROUTE OF SYNTHESIS FOR OPICAPONE AZAD Pharmaceutical Ingredients AG (CH) 2019-01-02 EP disclosed
US-20180370958-A1 Route Of Synthesis For Opicapone AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2018-12-27 US disclosed
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-12-28 US disclosed
WO-2017223290-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2017-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230014109-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CSNK1A1 1735/4885CLK4 2969/4885KMT2A 855/4885
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CSNK1A1 1735/4885CLK4 2969/4885KMT2A 855/4885
US-11142532-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 CSNK1A1 1735/4885CLK4 2969/4885KMT2A 855/4885
US-20190161498-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CSNK1A1 1735/4885CLK4 2969/4885KMT2A 855/4885
US-20170369505-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 CSNK1A1 1735/4885CLK4 2969/4885KMT2A 855/4885
US-20180370958-A1 Route Of Synthesis For Opicapone OPRM1, OPRK1, OPRD1 CSNK1A1 2139/4885CLK4 1061/4885KMT2A 1766/4885
US-10239887-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 CSNK1A1 1735/4885CLK4 2969/4885KMT2A 855/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.